CAS
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(R)-2-Phthalimido-3-buten-1-ol
Catalog Number
ACMA00001046
Category
Amines
Molecular Weight
217.22
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Specification
Hazard Statements
H302
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of the compound?
The molecular formula is C12H11NO3.
What is the molecular weight of the compound?
The molecular weight is 217.22 g/mol.
When was the compound created and last modified?
The compound was created on July 19, 2005, and last modified on November 25, 2023.
What is the IUPAC name of the compound?
The IUPAC name is 2-[(2R)-1-hydroxybut-3-en-2-yl]isoindole-1,3-dione.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C12H11NO3/c1-2-8(7-14)13-11(15)9-5-3-4-6-10(9)12(13)16/h2-6,8,14H,1,7H2/t8-/m1/s1.
What is the InChIKey of the compound?
The InChIKey of the compound is XWARCKJYBAUGMZ-MRVPVSSYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is C=CC(CO)N1C(=O)C2=CC=CC=C2C1=O.
What is the isomeric SMILES of the compound?
The isomeric SMILES is C=C[C@H](CO)N1C(=O)C2=CC=CC=C2C1=O.
What is the CAS number of the compound?
The CAS number is 174810-06-1.
What is the XLogP3 value of the compound?
The XLogP3 value of the compound is 1.3.
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